benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate

C18H21N3O2 — CID 103393638

IUPACbenzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
SMILESCc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cn1
InChIInChI=1S/C18H21N3O2/c1-13-7-8-15(11-19-13)20-16-9-17(10-16)21-18(22)23-12-14-5-3-2-4-6-14/h2-8,11,16-17,20H,9-10,12H2,1H3,(H,21,22)
InChIKeyAURDAQMYEFCDTG-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.26
Rot. Bonds5

About benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate

benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate (PubChem CID 103393638) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
PubChem CID103393638
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namebenzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate
SMILESCc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cn1
InChIInChI=1S/C18H21N3O2/c1-13-7-8-15(11-19-13)20-16-9-17(10-16)21-18(22)23-12-14-5-3-2-4-6-14/h2-8,11,16-17,20H,9-10,12H2,1H3,(H,21,22)
InChIKeyAURDAQMYEFCDTG-UHFFFAOYSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[(6-ethoxy-3-pyridinyl)amino]cyclobutyl]carbamate
CID 103393572
benzyl N-[3-(4-ethoxyanilino)cyclobutyl]carbamate
CID 103392743
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-(quinoxalin-6-ylamino)cyclobutyl]carbamate
CID 103393221
benzyl N-[3-(4-methylsulfonylanilino)cyclobutyl]carbamate
CID 103392797
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[3-[4-(cyanomethoxy)anilino]cyclobutyl]carbamate
CID 103392875
benzyl N-[3-(2-methoxyanilino)cyclobutyl]carbamate
CID 103392742
benzyl N-[3-(1H-indazol-5-ylamino)cyclobutyl]carbamate
CID 103393058
benzyl N-[3-(3-bromo-4-methoxyanilino)cyclobutyl]carbamate
CID 103393510
benzyl N-[3-(3-carbamoylanilino)cyclobutyl]carbamate
CID 103392870
benzyl N-[3-(3-iodoanilino)cyclobutyl]carbamate
CID 103392947

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate (CID 103393638) is benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate is Cc1ccc(NC2CC(NC(=O)OCc3ccccc3)C2)cn1.
What is the InChIKey of benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate?
The InChIKey is AURDAQMYEFCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-8-15(11-19-13)20-16-9-17(10-16)21-18(22)23-12-14-5-3-2-4-6-14/h2-8,11,16-17,20H,9-10,12H2,1H3,(H,21,22).
What are the key properties of benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate?
benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(6-methyl-3-pyridinyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103393638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).